Antagonistic properties of a natural product - Bicuculline with the gamma-aminobutyric acid receptor: Studied through electrostatic potential mapping, electronic and vibrational spectra using ab initio and density functional theory

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 84, Issue 1, 2011, Pages 144-155

  Srivastava, Anubha ^a   Tandon, Poonam ^a   Jain, Sudha ^a   Asthana, B P ^b  

^a UNIVERSITY OF LUCKNOW   (India)

^b BANARAS HINDU UNIVERSITY   (India)

Author keywords

(+) Bicuculline; Ab initio and DFT calculations; Electronic spectra; FT IR; FT Raman; Molecular electrostatic potential; Vibrational analysis

Indexed keywords

AB INITIO AND DFT CALCULATIONS; BICUCULLINE; ELECTRONIC SPECTRUM; FT-IR; FT-RAMAN; MOLECULAR ELECTROSTATIC POTENTIALS; VIBRATIONAL ANALYSIS;

ABSORPTION; AMINO ACIDS; CALCULATIONS; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; ELECTROSTATICS; INTEGRAL EQUATIONS; IONIZATION OF GASES; LIGHT ABSORPTION; MOLECULAR INTERACTIONS; OPTIMIZATION; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS;

IONIZATION POTENTIAL;

4 AMINOBUTYRIC ACID; 4 AMINOBUTYRIC ACID RECEPTOR; 4 AMINOBUTYRIC ACID RECEPTOR BLOCKING AGENT; BICUCULLINE; BIOLOGICAL PRODUCT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON; METABOLISM; QUANTUM THEORY; RAMAN SPECTROMETRY; STATIC ELECTRICITY; TEMPERATURE; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION; X RAY DIFFRACTION;

BICUCULLINE; BIOLOGICAL AGENTS; ELECTRONS; GABA ANTAGONISTS; GAMMA-AMINOBUTYRIC ACID; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; RECEPTORS, GABA; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; TEMPERATURE; THERMODYNAMICS; VIBRATION; X-RAY DIFFRACTION;

EID: 80054951958     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.09.022     Document Type: Article

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